Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2024, 347, 140671.

Compound

	ID:	e4817
	Name:	2,2',2'',2'''-[Ethane-1,1,2,2-tetrayltetrakis(4,1-phenyleneoxymethylene)]tetraoxirane
	Description:
	Labels:
	CAS:	7328-97-4
	InChi Code:	InChI=1S/C38H38O8/c1-9-29(39-17-33-21-43-33)10-2-25(1)37(26-3-11-30(12-4-26)40-18-34-22-44-34)38(27-5-13-31(14-6-27)41-19-35-23-45-35)28-7-15-32(16-8-28)42-20-36-24-46-36/h1-16,33-38H,17-24H2

Properties

er_ant: Activity in ER antagonist pathway

Value	Source or prediction
inactive	experimental value
antagonist	Tab3.antagonists: Model for ER activity on antagonists pathway (Evaluation set)